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(1S,9R)-N-(3,5-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
SpectraBase Compound ID Apla3MAlm3i
InChI InChI=1S/C18H17Cl2N3OS/c19-13-5-14(20)7-15(6-13)21-18(25)22-8-11-4-12(10-22)16-2-1-3-17(24)23(16)9-11/h1-3,5-7,11-12H,4,8-10H2,(H,21,25)
InChIKey MTYQQSZRTNJUBZ-UHFFFAOYSA-N
Mol Weight 394.32 g/mol
Molecular Formula C18H17Cl2N3OS
Exact Mass 393.046939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DP1BjfLc94f
Name (1S,9R)-N-(3,5-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H17Cl2N3OS/c19-13-5-14(20)7-15(6-13)21-18(25)22-8-11-4-12(10-22)16-2-1-3-17(24)23(16)9-11/h1-3,5-7,11-12H,4,8-10H2,(H,21,25)
InChIKey MTYQQSZRTNJUBZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24517
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D47581; Labnumber: NCOBK-0485; SBI_ID: SBI-024521
Synonyms N-(3,5-dichlorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
Temperature 318 °C